SCHEMBL1758634

SCHEMBL1758634

Cc1ccc(C(F)(F)F)cc1OC(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C19 P33261 2/20 0.53
USP2 O75604 1/20 0.53
CFTR P13569 1/20 0.43
CES2 O00748 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
SORT1 Q99523 1/20 0.39
BACE1 P56817 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ACHE P22303 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23581754 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL14713547 0.77 CYP2C19 (0.47) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL3023134 0.77 CES2 (0.53) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL7052744 0.75 BACE1 (0.58) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL2669936 0.74 L3MBTL1 (0.45) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL3056059 0.74 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL477753 0.74 CES2 (0.50) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL426613 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL1758892 0.72 CYP2C19 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL12390390 0.72 CYP2C19 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 KDM4E 1783/4885ALDH1A1 952/4885HPGD 1239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.